3， 4-bis（3-cyanofurazan） furazan oxide（BCTFO） was synthesized from 3， 4-dicyanofurazan as raw material by multistep functional group transformation of cyanide. The structure of BCTFO was characterized by IR， ¹³C and ¹⁵N NMR and elemental analysis. Combined with the theoretical simulation of GIAO method， the attribution of ¹³C NMR and ¹⁵N NMR spectra was completed. The single crystal of BCTFO was cultivated for the first time， which belongs to monoclinic， C2/c space group. The unit cell parameters are a=19.742（4） Å， b=8.851（2） Å， c=29.275（7） Å，V=4951.3（19） ų，Z=8， ρ=1.75 g·cm^-3， F（000）=2600， S=1.043， R₁=0.0491， wR₂=0.1375. Based on the determined density （ρ=1.76 g·cm^-3） and calculated enthalpy of formation （Δ_fH（s）=806.7 kJ∙mol^-3）， the detonation velocity （D） and detonation pressure （P） of the BCTFO are estimated to be 8086 m·s^-1 and 27.3 GPa by using Explo5（V6.04）. Differential scanning calorimetry （DSC） and thermogravimetric analyzer （TG） were used to study the thermal decomposition process of BCTFO. The peak temperature of thermal decomposition was T_dec=235.4 ℃. The sensitivity of BCTFO was measured according to BAM standard method， the impact sensitivity is 16 J and the friction sensitivity is 330 N.